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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:vatalanib
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Accession:CHEBI:90620 term browser browse the term
Definition:A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.
Synonyms:exact_synonym: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
 related_synonym: CGP-79787;   CGP79787;   Formula=C20H15ClN4;   InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25);   InChIKey=YCOYDOIWSSHVCK-UHFFFAOYSA-N;   N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine;   N-(p-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;   PTK-787;   PTK/ZK;   PTK787;   SMILES=N1=NC(=C2C(=C1CC=3C=CN=CC3)C=CC=C2)NC4=CC=C(C=C4)Cl;   ZK-232934
 xref: CAS:212141-54-3;   DrugBank:DB04879;   KEGG:D06285;   LINCS:LSM-5774
 xref_mesh: MESH:C404768
 xref: PMID:16882767;   PMID:21617019;   PMID:22197613;   PMID:22664478;   PMID:22910317;   PMID:23488610;   PMID:23700288;   PMID:24449400;   PMID:24799063;   PMID:24838014;   PMID:24939212;   PMID:25340839;   PMID:26206183;   PMID:26403354;   Reaxys:8638800;   Wikipedia:Vatalanib



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vatalanib term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 multiple interactions ISO [vatalanib co-treated with NR1I3 protein alternative form] results in increased expression of CYP2B6 mRNA CTD PMID:31312845 NCBI chr 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143
JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 multiple interactions ISO [vatalanib co-treated with NR1I3 protein alternative form] results in increased expression of CYP2B6 mRNA; vatalanib inhibits the reaction [ethyl (5-(diethylglycyl)-10,11-dihydro-5H-dibenzo(b,f)azepin-3-yl)carbamate results in decreased activity of NR1I3 protein] CTD PMID:31312845 NCBI chr13:83,632,940...83,638,193
Ensembl chr13:83,632,899...83,637,906
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19795
    role 19746
      application 19492
        pharmaceutical 19351
          drug 19351
            antineoplastic agent 17359
              vatalanib 2
                vatalanib succinate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19795
    subatomic particle 19794
      composite particle 19794
        hadron 19794
          baryon 19794
            nucleon 19794
              atomic nucleus 19794
                atom 19794
                  main group element atom 19693
                    main group molecular entity 19693
                      s-block molecular entity 19474
                        hydrogen molecular entity 19466
                          hydrides 18830
                            inorganic hydride 17688
                              pnictogen hydride 17668
                                nitrogen hydride 17540
                                  azane 17273
                                    ammonia 17272
                                      organic amino compound 17272
                                        secondary amino compound 6631
                                          vatalanib 2
                                            vatalanib succinate 0
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